2-[7-[(E)-but-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide Openeye Name: 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxo-purin-8-yl]sulfanylacetamide CAS Name: 2-[[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: 2-[7-[(E)-but-2-enyl]-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: 2-[[7-[(E)-but-2-enyl]-2,6-diketo-3-methyl-purin-8-yl]thio]acetamide Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H15N5O3S/c1-3-4-5-17-8-9(14-12(17)21-6-7(13)18)16(2)11(20)15-10(8)19/h3-4H,5-6H2,1-2H3,(H2,13,18)(H,15,19,20)/b4-3+